Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0LJ1H)
DIG Name
Phenylalanine
Synonyms    Click to Show/Hide the Synonyms of This DIG
L-phenylalanine; phenylalanine; 63-91-2; (S)-2-Amino-3-phenylpropanoic acid; 3-Phenyl-L-alanine; (S)-Phenylalanine; (2S)-2-amino-3-phenylpropanoic acid; (S)-2-Amino-3-phenylpropionic acid; beta-Phenyl-L-alanine; (L)-Phenylalanine; 3-Phenylalanine; H-Phe-OH; Antibiotic FN 1636; L-Alanine, phenyl-; Alanine, 3-phenyl-; L-Antibiotic FN 1636; (S)-alpha-Amino-beta-phenylpropionic acid; L-Alanine, 3-phenyl-; Phenylalanine (VAN); Fenilalanina [Spanish]; Phenylalaninum [Latin]; (S)-alpha-Aminohydrocinnamic acid; Alanine, phenyl-, L-; (S)-(-)-Phenylalanine; beta-Phenylalnine, (-)-; (S)-alpha-Amino-benzenepropanoic acid; FEMA No. 3585; Phenylalanine, L-; Hydrocinnamic acid, alpha-amino-; 2-Amino-3-phenylpropionic acid, L-; Phenylalanine [USAN:INN:JAN]; HSDB 1825; alpha-Aminohydrocinnamic acid, L-; alpha-Amino-beta-phenylpropionic acid, L-; Benzenepropanoic acid, alpha-amino-, (S)-; fenilalanina; alpha-Aminohydrocinnamic acid; endophenyl; MFCD00064227; NSC 79477; L-Phe; UNII-47E5O17Y3R; L-PHENYLALININE; 67675-33-6; CHEMBL301523; CHEBI:17295; L-2-Amino-3-phenylpropionic acid; phe; 47E5O17Y3R; Phenylalaninum; phenylalanin; Phenylalamine; L-Phenylalanine, 98.5+%; Phenylalanine (L-Phenylalanine); Alanine, phenyl-; .beta.-Phenylalanine; Phenyl-.alpha.-alanine; L-.beta.-Phenylalanine; .beta.-Phenyl-L-alanine; (-)-.beta.-Phenylalanine; EINECS 200-568-1; .alpha.-Aminohydrocinnamic acid; .beta.-Phenyl-.alpha.-alanine; Phenylalanine (USP/INN); L-phenylaniline; Hydrocinnamic acid, .alpha.-amino-; NSC-9959; CCRIS 4254; .beta.-Phenyl-.alpha.-alanine, l-; NSC-79477; L-phenyl Alanine; PheOH; 1usi; L-Phenylalanine, 98.5-101.0%, specified according to the requirements of USP; NCI9959; phenylalanine group; (-)-phenylalanine; .alpha.-Amino-.beta.-phenylpropionic acid; racemic phenylalanine; Phenylalanine [USAN:USP:INN:JAN]; PubChem11004; 1f2p; alpha-Aminohydrocinnamate; (-)-beta-Phenylalanine; L-Phenylalanine, 99%; beta-Phenyl-alpha-alanine; L-Phenylalanine (JP17); bmse000045; bmse000900; bmse000921; bmse001016; SCHEMBL8119; NCIStruc1_000204; NCIStruc2_000248; H-Phe-2-Chlorotrityl Resin; L-(-)-PHENYLALANINE; (S)-alpha-Aminohydrocinnamate; L-Phenylalanine (H-Phe-OH); L-2-Amino-3-phenylpropionate; L-Phenylalanine, 99%, FCC; GTPL3313; (S)-alpha-Aminobenzenepropanoate; 3-Amino-4-phenyl-butanoic acid; DTXSID4040763; (S)-2-amino-3-phenylpropanoate; BDBM18073; (S)-2-Amino-3-phenylpropionate; 1F9436B3-8B0D-4AC6-A004-4249B0BDA436; L-Phenylalanine non-animal source; (S)-alpha-Amino-benzenepropanoate; ZINC105196; HY-N0215; L-2-amino-3-phenyl-propionic acid; (S)-alpha-Aminobenzenepropanoic acid; ANW-34771; CCG-37572; NCGC00013103; L-[2,3,4,5,6-3H]phenylalanine; (S)-alpha-Amino-beta-phenylpropionate; AKOS010373257; AKOS015853585; L-Phenylalanine, Cell Culture Reagent; (S)-.alpha.-Aminobenzenepropanoic acid; AB02575; DB00120; L-Phenylalanine, Vetec(TM), 98.5%; MCULE-5960921520; L-Phenylalanine, reagent grade, >=98%; NCGC00013103-02; NCGC00013103-03; NCGC00013103-04; NCGC00013103-05; NCGC00095047-01; NCGC00095047-02; NCGC00095047-03; NCGC00095047-04; AC-22417; AS-14129; BP-20538; K018; AB0013977; DB-029978; L-Phenylalanine, 99%, natural, FCC, FG; A5737; AM20060774; P0134; Benzenepropanoic acid, .alpha.-amino-, (S)-; L-Phenylalanine, BioUltra, >=99.0% (NT); 63P912; C00079; D00021; M-5935; M02961; 34149-EP2289892A1; 34149-EP2301939A1; 34149-EP2305688A1; 34149-EP2305825A1; 34149-EP2311850A1; L-Phenylalanine, SAJ special grade, >=99.0%; 125851-EP2284178A2; 125851-EP2284179A2; 125851-EP2295422A2; Q170545; L-Phenylalanine, Vetec(TM) reagent grade, >=98%; Q-201326; F0001-2360; Z1258578341; L-Phenylalanine, certified reference material, TraceCERT(R); UNII-0O72R8RF8A component COLNVLDHVKWLRT-QMMMGPOBSA-N; UNII-8P946UF12S component COLNVLDHVKWLRT-QMMMGPOBSA-N; UNII-N7U7BXP2OI component COLNVLDHVKWLRT-QMMMGPOBSA-N; Phenylalanine, European Pharmacopoeia (EP) Reference Standard; 3-(2-AMINOETHYL)-1,3-THIAZOLIDINE-2,4-DIONEHYDROCHLORIDE; L-Phenylalanine, United States Pharmacopeia (USP) Reference Standard; L-Phenylalanine, analytical standard, for Nitrogen Determination According to Kjeldahl Method; L-Phenylalanine, Pharmaceutical Secondary Standard; Certified Reference Material; L-Phenylalanine, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 98.5-101.0%; L-Phenylalanine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture
DIG Function
Solubilizing agent
PubChem CID
6140
Formula
C9H11NO2
Canonical SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI
1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey
COLNVLDHVKWLRT-QMMMGPOBSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=6140"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 165.19 Topological Polar Surface Area 63.3
XlogP -1.5 Complexity 153
Heavy Atom Count 12 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Bosentan
 API Info
Pulmonary hypertension [ICD-11: BB01]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Inhibitor of apoptosis protein 3 (XIAP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 80200 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID XIAP_HUMAN
      Hydrolase (HDase)
            DBT Name: Alkaline phosphatase ALPL (ALPL) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 100100 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPBT_HUMAN
            DBT Name: Intestinal alkaline phosphatase (IAP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 80200 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPBI_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 80210 nM (tested by experiment) [5]
                    Tested Species Bos taurus (Bovine)
                    UniProt ID PPBI_BOVIN
      Potential-driven transporter (PDT)
            DBT Name: Integral membrane E16 (SLC7A5) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 69000 nM (tested by experiment) [6]
                    Tested Species Homo sapiens (Human)
                    UniProt ID LAT1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 55000 nM (tested by experiment) [7]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID LAT1_RAT
      Transmembrane channel/porin (TC/P)
            DBT Name: Calcium channel alpha-2/delta-1 (CA2D1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 977.24 nM (tested by experiment) [8]
                    Tested Species Mus musculus (Mouse)
                    UniProt ID CA2D1_MOUSE
References
1 FDA label for approved bosentan from the official website of the U.S. Food and Drug Administration.
2 Exploration of carboxy pyrazole derivatives: Synthesis, alkaline phosphatase, nucleotide pyrophosphatase/phosphodiesterase and nucleoside triphosphate diphosphohydrolase inhibition studies with potential anticancer profile. Eur J Med Chem. 2018 Aug 5; 156:461-478.
3 Coumarin sulfonates: New alkaline phosphatase inhibitors; in vitro and in silico studies. Eur J Med Chem. 2017 May 5; 131:29-47.
4 2-Substituted 7-trifluoromethyl-thiadiazolopyrimidones as alkaline phosphatase inhibitors. Synthesis, structure activity relationship and molecular docking study. Eur J Med Chem. 2018 Jan 20; 144:116-127.
5 Synthesis, alkaline phosphatase inhibition studies and molecular docking of novel derivatives of 4-quinolones. Eur J Med Chem. 2017 Jan 27; 126:408-420.
6 l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan. Bioorg Med Chem Lett. 2019 Aug 15; 29(16):2254-2258.
7 Regiospecific and conformationally restrained analogs of melphalan and DL-2-NAM-7 and their affinities for the large neutral amino acid transporter (system LAT1) of the blood-brain barrier. Bioorg Med Chem Lett. 2010 Jun 15; 20(12):3688-91.
8 Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels. Bioorg Med Chem Lett. 2006 Mar 1; 16(5):1138-41.

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